6-bromo-3-methyltriazolo[4,5-b]pyridine

C6H5BrN4 — CID 59619824

IUPAC6-bromo-3-methyltriazolo[4,5-b]pyridine
SMILESCn1nnc2cc(Br)cnc21
InChIInChI=1S/C6H5BrN4/c1-11-6-5(9-10-11)2-4(7)3-8-6/h2-3H,1H3
InChIKeyMHWRXBLIXOUVOJ-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.13
Rot. Bonds

About 6-bromo-3-methyltriazolo[4,5-b]pyridine

6-bromo-3-methyltriazolo[4,5-b]pyridine (PubChem CID 59619824) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 6-bromo-3-methyltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-methyltriazolo[4,5-b]pyridine
PubChem CID59619824
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name6-bromo-3-methyltriazolo[4,5-b]pyridine
SMILESCn1nnc2cc(Br)cnc21
InChIInChI=1S/C6H5BrN4/c1-11-6-5(9-10-11)2-4(7)3-8-6/h2-3H,1H3
InChIKeyMHWRXBLIXOUVOJ-UHFFFAOYSA-N
XLogP1.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyltriazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-methyltriazolo[4,5-b]pyridine (CID 59619824) is 6-bromo-3-methyltriazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-methyltriazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-methyltriazolo[4,5-b]pyridine is Cn1nnc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-methyltriazolo[4,5-b]pyridine?
The InChIKey is MHWRXBLIXOUVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-11-6-5(9-10-11)2-4(7)3-8-6/h2-3H,1H3.
What are the key properties of 6-bromo-3-methyltriazolo[4,5-b]pyridine?
6-bromo-3-methyltriazolo[4,5-b]pyridine has a molecular weight of 213.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyltriazolo[4,5-b]pyridine is sourced from PubChem (CID 59619824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).